SCHEMBL7125829

SCHEMBL7125829

Oc1ccc(O)c(C(O)C(Cl)(Cl)Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 5/20 0.42
HSD17B10 Q99714 2/20 0.42
NR1I2 O75469 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP2C9 P11712 1/20 0.42
MIF P14174 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
NFE2L2 Q16236 1/20 0.42
ESR1 P03372 3/20 0.39
ESR2 Q92731 2/20 0.39
DYRK1A Q13627 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX5 P09917 2/20 0.33
MAOB P27338 1/20 0.33
CA12 O43570 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7122784 0.83 TYR (0.43) TYRESR1ESR2
SCHEMBL7118636 0.80 CA1 (0.45) HSD17B10ALDH1A1CYP2C9ALOX15ESR2
SCHEMBL10855849 0.80 CA3 (0.39) CA9CA14ADRA2AADRA2BADRA2C
SCHEMBL7119138 0.80 TRPA1 (0.45) HSD17B10ALDH1A1LMNAALOX15HTT
SCHEMBL7128595 0.79 TYR (0.42) TYRHSD17B10NR1I2ALDH1A1LMNA
SCHEMBL27964533 0.76 TYR (0.41) TYRHSD17B10NR1I2ALDH1A1LMNA
SCHEMBL302560 0.75 TYR (0.44) TYRHSD17B10NR1I2ALDH1A1LMNA
SCHEMBL7131111 0.74 GABRA1 (0.48) HSD17B10ALDH1A1LMNACYP2C9ALOX15
SCHEMBL7125981 0.72 ADRA2A (0.37) ESR1ESR2ADRA2AADRA2BADRA2C
SCHEMBL31618865 0.71 TYR (0.46) TYRHSD17B10NR1I2ALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030144541-A1 Process for preparing alpha-halogenated retones RHODIA CHIMIE (FR) 2003-07-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030144541-A1 Process for preparing alpha-halogenated retones ADH1A, ADH1C, RER1 TYR 569/4885HSD17B10 376/4885NR1I2 579/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.